IUPAC name
(4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
SMILES
[H][C@@]1(O[C@]([H])([C@H](NC(=O)C2C[C@@H](CCC)CN2C)[C@@H](C)O)[C@H](O)[C@H](O)[C@H]1O)SC
Compound class
Anti-Bacterial Agents; Protein Synthesis Inhibitors; Antibiotics; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; Antibacterials for Intramammary Use; Lincosamides;
Therapeutic area
Lincomycin is an antibiotic used in the treatment of staphylococcal, streptococcal, and .
Common name
Lincomycin
IUPAC name
(4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
SMILES
[H][C@@]1(O[C@]([H])([C@H](NC(=O)C2C[C@@H](CCC)CN2C)[C@@H](C)O)[C@H](O)[C@H](O)[C@H]1O)SC
INCHI
InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11?,12-,13+,14-,15-,16-,18-/m1/s1
FORMULA
C18H34N2O6S
Common name
Lincomycin
IUPAC name
(4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
Molecular weight
406.537
clogP
-0.475
clogS
-0.024
HBond Acceptor
7
HBond Donor
5
Total Polar Surface Area
147.79
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00209 | 1-methylpyrrolidine |
|
N1(CCCC1)C | 0.0076 |
| FDBF02702 | (2S,4R)-1,4-dimethylpyrrolidine-2-carboxamide |
|
N1(C(CC(C1)C)C(=O)N)C | 0.0007 |
| FDBF02703 | (3R)-1-methyl-3-propyl-pyrrolidine |
|
N1(CCC(C1)CCC)C | 0.0007 |
| FDBF02704 | (2S)-N,1-dimethylpyrrolidine-2-carboxamide |
|
CNC(=O)C1N(CCC1)C | 0.0007 |
| FDBF02706 | (2S,4R)-N,1,4-trimethylpyrrolidine-2-carboxamide |
|
CNC(=O)C1N(CC(C1)C)C | 0.0007 |
| FDBF02710 | (2S,4R)-N,1-dimethyl-4-propyl-pyrrolidine-2-carboxamide |
|
CNC(=O)C1N(CC(C1)CCC)C | 0.0007 |
| FDBF03126 | (2S)-N-[(2R)-2-hydroxypropyl]-1-methyl-pyrrolidine-2-carboxamide |
|
O=C(NCC(O)C)C1N(CCC1)C | 0.0003 |
